Bridging-terminal exchange in ansa-bridged tetrahydroborate niobocene compounds: a density functional study
Density functional calculations on [Nb(η-C5H5)2(η2-BH4)], [Nb{H2Si(η-C5H4)2}(η2-BH4)] and [Nb{H2C(η-C5H4)2}(η2-BH4)], show the barrier to terminal-bridging hydrogen exchange decrease as the inter-ring angle increases, in agreement with earlier experimental data. The calculations suggest the bonding...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
Elsevier
2000
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| Subjects: |